Handbook of Computational Chemistry [E-Book] / edited by Jerzy Leszczynski, Anna Kaczmarek-Kedziera, Tomasz Puzyn, Manthos G. Papadopoulos, Heribert Reis, Manoj K. Shukla.
The first part briefly describes different methods used in computational chemistry without going into exhaustive details of theory. Basic assumptions common to the majority of computational methods based on either quantum or statistical mechanics are outlined. Particular attention is paid to the lim...
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Personal Name(s): | Kaczmarek-Kedziera, Anna, editor |
Leszczynski, Jerzy, editor / Papadopoulos, Manthos G., editor / Puzyn, Tomasz, editor / Reis, Heribert, editor / Shukla, Manoj K., editor | |
Edition: |
2nd ed. 2017. |
Imprint: |
Cham :
Springer,
2017
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Physical Description: |
588 illus., 315 illus. in color. eReference. online resource. |
Note: |
englisch |
ISBN: |
9783319272825 |
DOI: |
10.1007/978-3-319-27282-5 |
Subject (ZB): | |
Subject (LOC): | |
Classification: |
- From the Contents: From Quantum Theory to Computational Chemistry
- Exceptional status of chemistry
- The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics
- Remarks on Wave Function Theory and Methods.